Spektraris NMR
Palinurine B
Common Name: Palinurine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H39NO5/c1-19(10-6-12-21(3)16-24-26(31)22(4)27(32)33-24)8-5-9-20(2)11-7-13-23-17-25(30)28(18-23)14-15-29/h5,8-9,12,17,19,24,29,31H,6-7,10-11,13-16,18H2,1-4H3/b8-5+,20-9+,21-12+/t19-,24-/m1/s1
InChIKey: InChIKey=FAEZIVZIULRXKC-WGMCZROLSA-N
Formula: C27H39N1O5
Molecular Weight: 457.603326
Exact Mass: 457.282823
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sayed, K.A.E., Mayer, A.M.S., Kelly, M., Hamann, M.T. J Org Chem (1999) 64, 9258-60
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 164.1 |
| 2 (CH) | 121 |
| 3 (C) | 139 |
| 4 (CH2) | 57.3 |
| 5 (CH2) | 29.9 |
| 6 (CH2) | 27 |
| 7 (CH2) | 40.3 |
| 8 (C) | 135.9 |
| 9 (CH3) | 16.4 |
| 10 (CH) | 127.1 |
| 11 (CH) | 126.4 |
| 12 (CH) | 139.6 |
| 13 (CH) | 38 |
| 14 (CH3) | 21.4 |
| 15 (CH2) | 38.5 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 128.9 |
| 18 (C) | 132.6 |
| 19 (CH3) | 24.3 |
| 20 (CH2) | 36.1 |
| 21 (CH) | 81.3 |
| 22 (C) | 193.1 |
| 23 (C) | 89.5 |
| 24 (C) | 184 |
| 25 (CH3) | 6 |
| 1' (CH2) | 45.7 |
| 2' (CH2) | 61.3 |
